BR9PD5 -OEChem-04022106462D 43 47 0 1 0 0 0 0 0999 V2000 9.0594 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -2.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 -1.2648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3399 -0.7648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.7648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3399 0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6831 -2.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 -2.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 -0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 -0.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 0.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8724 1.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0754 1.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -2.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -1.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3431 -3.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 2.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 2.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 22 1 0 0 0 0 2 43 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 6 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 1 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 6 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$